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2-Aza-[3]ferrocenophane

View entire compound with spectra: 1 MS (GC)

2-Aza-[3]ferrocenophane
SpectraBase Compound ID LTDIbSrjm0q
InChI InChI=1S/C21H19N.Fe/c1-2-8-15(7-1)20-13-17-14-21(16-9-3-4-10-16)22(20)19-12-6-5-11-18(17)19;/h1-12,17,20-21H,13-14H2;/t20-,21-;/m0./s1
InChIKey PXXURZMAPXCBSP-GUTACTQSSA-N
Mol Weight 341.24 g/mol
Molecular Formula C21H19FeN
Exact Mass 341.086686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfF4mdjZ5Fl
Name 2-Aza-[3]ferrocenophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19FeN
InChI InChI=1S/C21H19N.Fe/c1-2-8-15(7-1)20-13-17-14-21(16-9-3-4-10-16)22(20)19-12-6-5-11-18(17)19;/h1-12,17,20-21H,13-14H2;/t20-,21-;/m0./s1
InChIKey PXXURZMAPXCBSP-GUTACTQSSA-N
Molecular Weight 341.235 g/mol
SMILES [C@]123[Fe]456789%10([C@@]%11([C@@]%12(CC%13c%14c(N%12[C@]1(C%13)[H])cccc%14)[H])[C@@]4([C@@]5([C@@]6([C@@]%10%11[H])[H])[H])[H])[C@]2([C@@]8([C@@]9([C@]37[H])[H])[H])[H]
SPLASH splash10-0007-1987000000-3d38db50136bda784307
Source of Spectrum AT-42-8992-3
Wiley ID 855327